Basic Information
Formula
HoTmPb4
MP-ID
mp-3251444
Elements
3
Sites
6
Density
11.5475
g/cm³
Volume
167.19
ų
Cell a
8.6547
Å
Cell b
8.6547
Å
Cell c
4.4699
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
150.04
°
Space Group
Amm2
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
oC
Stability
Yes
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 25.53 | 3.4890 | 1.3 | (1,-2,0) |
| 25.53 | 3.4890 | 1.3 | (2,-1,0) |
| 29.25 | 3.0532 | 2.2 | (2,-2,1) |
| 32.12 | 2.7869 | 22.1 | (3,-3,0) |
| 32.56 | 2.7503 | 100.0 | (2,-1,1) |
| 38.05 | 2.3649 | 3.4 | (3,-3,1) |
| 40.32 | 2.2369 | 14.9 | (1,1,0) |
| 40.36 | 2.2349 | 14.8 | (0,0,2) |
| 42.92 | 2.1072 | 1.5 | (4,-3,0) |
| 47.72 | 1.9060 | 1.2 | (4,-3,1) |
| 48.05 | 1.8934 | 1.1 | (4,-4,1) |
| 52.45 | 1.7445 | 11.4 | (4,-2,0) |
| 52.48 | 1.7435 | 11.3 | (3,-3,2) |
| 53.40 | 1.7158 | 1.2 | (4,-5,0) |
| 53.40 | 1.7158 | 1.2 | (5,-4,0) |
| 56.64 | 1.6251 | 1.1 | (2,-4,1) |
| 56.64 | 1.6251 | 1.1 | (4,-2,1) |
| 57.54 | 1.6019 | 13.1 | (5,-4,1) |
| 58.37 | 1.5810 | 10.2 | (1,1,2) |
| 60.37 | 1.5332 | 1.1 | (4,-3,2) |
| 67.18 | 1.3934 | 1.4 | (6,-6,0) |
| 68.20 | 1.3752 | 10.5 | (4,-2,2) |
| 68.42 | 1.3712 | 12.2 | (3,0,1) |
| 68.47 | 1.3702 | 12.2 | (2,-1,3) |
Energy Properties
Formation Energy/atom
-0.44411
eV/atom
Energy/atom
-49.30126
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-49.3013
eV/atom
Volume/atom
27.87
ų
c/a Ratio
0.5165
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0000
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Pb · 0.667
Element Family
PostTransition-Noble
Solute Fraction
0.333
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.8676
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.2129
J/mol·K
Ω Parameter
0.0000
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
0.000%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.5139
smaller = more stable mixing
VEC
6.667
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7897
SS Former
1
Phase Tendency
SS
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3251444
Reference Citation
The crystal structure and related material properties of HoTmPb4 were obtained from the Materials Project database (MP-ID: mp-3251444, database version v2026.04.13).
Literature Citation
Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0
3D Crystal Structure Rendering
Loading 3D structure…
Style: Ball & Stick
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_HoTmPb4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.65470457
_cell_length_b 8.65470518
_cell_length_c 4.46987503
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 150.04210257
_symmetry_Int_Tables_number 1
_chemical_formula_structural HoTmPb4
_chemical_formula_sum 'Ho1 Tm1 Pb4'
_cell_volume 167.19246055
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ho Ho0 1 0.40418467 0.59581533 0.25000000 1.0
Tm Tm1 1 0.59600508 0.40399492 0.75000100 1.0
Pb Pb2 1 0.75158508 0.24841492 0.25000000 1.0
Pb Pb3 1 0.06717620 0.93282380 0.25000000 1.0
Pb Pb4 1 0.93368800 0.06631200 0.75000100 1.0
Pb Pb5 1 0.24736098 0.75263902 0.75000100 1.0
